Information card for entry 4305443

Structure parameters

• Formula: C28 H16 Au2 N8 Pb
• Calculated formula: C28 H16 Au2 N8 Pb
• SMILES: C([Au]C#N)#N.[Pb]12([n]3cccc4c3c3c(ccc[n]13)cc4)[n]1cccc3c1c1c(ccc[n]21)cc3.C([Au]C#N)#N
• Title of publication: Structural and Spectroscopic Impact of Tuning the Stereochemical Activity of the Lone Pair in Lead(II) Cyanoaurate Coordination Polymers via Ancillary Ligands
• Authors of publication: Michael J. Katz; Vladimir K. Michaelis; Pedro M. Aguilar; Renante Yson; Haiyan Lu; Harini Kaluarachchi; Raymond J. Batchelor; Georg Schreckenbach; Scott Kroeker; Howard H. Patterson; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6353 - 6363
• a: 6.9317 ± 0.0013 Å
• b: 20.885 ± 0.005 Å
• c: 36.459 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5278.1 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No